(E)-4-(dioxidanyl)-4-oxidanylidene-but-2-enoate; 1,2,3,4-tetrahydroacridin-9-amine

Systemtic Name: (E)-4-(dioxidanyl)-4-oxidanylidene-but-2-enoate; 1,2,3,4-tetrahydroacridin-9-amine Openeye Name: (E)-4-hydroperoxy-4-oxo-but-2-enoate; 1,2,3,4-tetrahydroacridin-9-amine CAS Name: (E)-4-hydroperoxy-4-oxo-2-butenoate; 1,2,3,4-tetrahydroacridin-9-amine IUPAC Name: (E)-4-hydroperoxy-4-oxobut-2-enoate; 1,2,3,4-tetrahydroacridin-9-amine Traditional Name: (E)-4-hydroperoxy-4-keto-but-2-enoate; 1,2,3,4-tetrahydroacridin-9-ylamine Formula: C17H17N2O5- MolecularWeight: 329.32728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=CC=CC=C3C(=C2C1)N.C(=CC(=O)OO)C(=O)[O-]

Isomeric SMILES

C1CCC2=NC3=CC=CC=C3C(=C2C1)N.C(=C/C(=O)OO)\C(=O)[O-]

InChI

InChI=1S/C13H14N2.C4H4O5/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;5-3(6)1-2-4(7)9-8/h1,3,5,7H,2,4,6,8H2,(H2,14,15);1-2,8H,(H,5,6)/p-1/b;2-1+